4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline

C46H30N4 — CID 118552039

IUPAC4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C46H30N4/c1-2-10-36(11-3-1)44-42-24-23-34-9-4-5-13-41(34)45(42)50-46(49-44)40-28-38(32-17-15-31(16-18-32)37-12-8-25-47-30-37)27-39(29-40)33-19-21-35(22-20-33)43-14-6-7-26-48-43/h1-30H
InChIKeyVOWPNYLSIDILPU-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.57
Rot. Bonds6

About 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline

4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline (PubChem CID 118552039) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline
PubChem CID118552039
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C46H30N4/c1-2-10-36(11-3-1)44-42-24-23-34-9-4-5-13-41(34)45(42)50-46(49-44)40-28-38(32-17-15-31(16-18-32)37-12-8-25-47-30-37)27-39(29-40)33-19-21-35(22-20-33)43-14-6-7-26-48-43/h1-30H
InChIKeyVOWPNYLSIDILPU-UHFFFAOYSA-N
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(6-naphthalen-1-yl-3-pyridinyl)-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenylbenzo[h]quinazoline
CID 118552233
13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 129289319
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
CID 159367402
4,6-diphenyl-2-[3-pyridin-3-yl-5-[4-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]quinazoline
CID 118552352
4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline
CID 122488950
4,7-diphenyl-2-[3-phenyl-5-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]quinazoline
CID 118552649
2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 157121203
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210532
9-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-4-pyridin-2-ylbenzo[h]quinazoline
CID 155364563

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline?
The IUPAC name of 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline (CID 118552039) is 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline.
What is the SMILES notation for 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline?
The canonical SMILES for 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline is c1ccc(-c2nc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c3)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline?
The InChIKey is VOWPNYLSIDILPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-2-10-36(11-3-1)44-42-24-23-34-9-4-5-13-41(34)45(42)50-46(49-44)40-28-38(32-17-15-31(16-18-32)37-12-8-25-47-30-37)27-39(29-40)33-19-21-35(22-20-33)43-14-6-7-26-48-43/h1-30H.
What are the key properties of 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline?
4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline has a molecular weight of 638.77 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline is sourced from PubChem (CID 118552039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).